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CHEBI:222183 - Paulomycin F

ChEBI IDCHEBI:222183
ChEBI NamePaulomycin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O16S
Net Charge0
Average Mass702.688
Monoisotopic Mass702.19420
SMILESC/C=C(\N=C=S)C(=O)O[C@H]1[C@@H](O[C@H]2C[C@@H](OC)[C@](O)([C@H](C)O)[C@@H](C)O2)[C@@H](O)[C@H]([C@]2(O)CC(=O)C(=N)C(C(=O)O)=C2O)O[C@H]1COC(C)=O
InChIInChI=1S/C29H38N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,11-12,16-18,21-23,25,30,32,35-36,40-41H,7-9H2,1-5H3,(H,37,38)/b14-6-,30-20?/t11-,12+,16-,17+,18-,21+,22+,23-,25+,28-,29-/m0/s1
InChIKeyHPQDYNPAMCQCMI-WCHRXPRUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3356604)
ChEBI Ontology
Outgoing Relation(s)
Paulomycin F (CHEBI:222183) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R)-3-[(2R,3R,4S,5R,6S)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4R,5S,6R)-5-hydroxy-5-[(1S)-1-hydroxyethyl]-4-methoxy-6-methyloxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
78442985ChemSpider